propan-2-yl (6S)-6-[4-(butanoylamino)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (6S)-6-[4-(butanoylamino)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-6-[4-(butanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-2-oxo-6-[4-(1-oxobutylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-6-[4-(butanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-butyramidophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=O)N2)C)C)C(=O)OC(C)C

InChI

InChI=1S/C20H27N3O4/c1-6-7-16(24)21-15-10-8-14(9-11-15)18-17(19(25)27-12(2)3)13(4)23(5)20(26)22-18/h8-12,18H,6-7H2,1-5H3,(H,21,24)(H,22,26)/t18-/m0/s1